REMARK  Name = BDB056866
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.701   5.327   2.481  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -0.567   4.352   2.291  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -0.814   3.226   1.517  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1        0.345   2.345   1.270  0.00  0.00    +0.146 C 
ATOM      5  C   LIG    1       -0.110   1.008   0.800  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1        0.616  -0.183   0.540  0.00  0.00    +0.098 A 
ATOM      7  N   LIG    1       -0.201  -1.152   0.092  0.00  0.00    -0.170 NA
ATOM      8  N   LIG    1       -1.430  -0.596   0.078  0.00  0.00    -0.264 N 
ATOM      9  C   LIG    1       -1.414   0.707   0.470  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -2.544   1.663   0.554  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -1.973   3.097   0.605  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1        0.523   4.564   2.824  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        2.050  -0.414   0.687  0.00  0.00    +0.006 A 
ATOM     14  C   LIG    1        2.856  -0.811  -0.402  0.00  0.00    -0.025 A 
ATOM     15  C   LIG    1        2.277  -1.039  -1.784  0.00  0.00    +0.131 C 
ATOM     16  C   LIG    1        3.281  -0.995  -2.920  0.00  0.00    +0.218 C 
ATOM     17  N   LIG    1        4.609  -1.044  -2.602  0.00  0.00    -0.311 N 
ATOM     18  H   LIG    1        5.218  -1.107  -3.408  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1        5.072  -1.545  -1.335  0.00  0.00    +0.139 C 
ATOM     20  O   LIG    1        2.940  -0.921  -4.100  0.00  0.00    -0.275 OA
ATOM     21  C   LIG    1        4.231  -1.043  -0.197  0.00  0.00    -0.026 A 
ATOM     22  C   LIG    1        4.791  -0.871   1.076  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1        3.997  -0.463   2.143  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        2.634  -0.240   1.952  0.00  0.00    +0.010 A 
ENDBRANCH   6  13
BRANCH   8  25
ATOM     25  C   LIG    1       -2.571  -1.385  -0.365  0.00  0.00    +0.112 C 
ATOM     26  C   LIG    1       -2.658  -2.741   0.337  0.00  0.00    +0.055 C 
ATOM     27  C   LIG    1       -3.906  -3.493  -0.114  0.00  0.00    +0.162 C 
ATOM     28  O   LIG    1       -4.374  -3.078  -1.399  0.00  0.00    -0.380 OA
ATOM     29  C   LIG    1       -3.307  -2.822  -2.308  0.00  0.00    +0.162 C 
ATOM     30  C   LIG    1       -2.573  -1.555  -1.891  0.00  0.00    +0.055 C 
ENDBRANCH   8  25
TORSDOF 2